6-(3,4-difluoroanilino)quinoline-5,8-dione

C15H8F2N2O2 — CID 15537861

IUPAC6-(3,4-difluoroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(F)c(F)c2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H8F2N2O2/c16-10-4-3-8(6-11(10)17)19-12-7-13(20)14-9(15(12)21)2-1-5-18-14/h1-7,19H
InChIKeyQFQQVVJZYNICIP-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.73
Rot. Bonds2

About 6-(3,4-difluoroanilino)quinoline-5,8-dione

6-(3,4-difluoroanilino)quinoline-5,8-dione (PubChem CID 15537861) has the molecular formula C15H8F2N2O2 and a molecular weight of 286.24 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)quinoline-5,8-dione
PubChem CID15537861
Molecular FormulaC15H8F2N2O2
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name6-(3,4-difluoroanilino)quinoline-5,8-dione
SMILESO=C1C(Nc2ccc(F)c(F)c2)=CC(=O)c2ncccc21
InChIInChI=1S/C15H8F2N2O2/c16-10-4-3-8(6-11(10)17)19-12-7-13(20)14-9(15(12)21)2-1-5-18-14/h1-7,19H
InChIKeyQFQQVVJZYNICIP-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)quinoline-5,8-dione?
The IUPAC name of 6-(3,4-difluoroanilino)quinoline-5,8-dione (CID 15537861) is 6-(3,4-difluoroanilino)quinoline-5,8-dione.
What is the SMILES notation for 6-(3,4-difluoroanilino)quinoline-5,8-dione?
The canonical SMILES for 6-(3,4-difluoroanilino)quinoline-5,8-dione is O=C1C(Nc2ccc(F)c(F)c2)=CC(=O)c2ncccc21.
What is the InChIKey of 6-(3,4-difluoroanilino)quinoline-5,8-dione?
The InChIKey is QFQQVVJZYNICIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2/c16-10-4-3-8(6-11(10)17)19-12-7-13(20)14-9(15(12)21)2-1-5-18-14/h1-7,19H.
What are the key properties of 6-(3,4-difluoroanilino)quinoline-5,8-dione?
6-(3,4-difluoroanilino)quinoline-5,8-dione has a molecular weight of 286.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)quinoline-5,8-dione is sourced from PubChem (CID 15537861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).